3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

C20H25N3O — CID 120612041

IUPAC3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1N1CCN(C(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C20H25N3O/c1-16-6-2-5-9-19(16)22-12-14-23(15-13-22)20(24)11-10-17-7-3-4-8-18(17)21/h2-9H,10-15,21H2,1H3
InChIKeyUGSWDWFBCATKPM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.86
Rot. Bonds4

About 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 120612041) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID120612041
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1N1CCN(C(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C20H25N3O/c1-16-6-2-5-9-19(16)22-12-14-23(15-13-22)20(24)11-10-17-7-3-4-8-18(17)21/h2-9H,10-15,21H2,1H3
InChIKeyUGSWDWFBCATKPM-UHFFFAOYSA-N
XLogP2.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
3-(2-aminophenyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 120612449
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
1-[4-[3-(2-aminophenyl)propanoyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 120609476
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120608110
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120608383
5-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70705404
3-(2-aminophenyl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612951
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (CID 120612041) is 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is Cc1ccccc1N1CCN(C(=O)CCc2ccccc2N)CC1.
What is the InChIKey of 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UGSWDWFBCATKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-6-2-5-9-19(16)22-12-14-23(15-13-22)20(24)11-10-17-7-3-4-8-18(17)21/h2-9H,10-15,21H2,1H3.
What are the key properties of 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120612041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).